[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C17H15FN4O3 MolecularWeight: 342.324403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F)N=N1

InChI

InChI=1S/C17H15FN4O3/c1-2-22-15-8-3-11(9-14(15)20-21-22)17(24)25-10-16(23)19-13-6-4-12(18)5-7-13/h3-9H,2,10H2,1H3,(H,19,23)